5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide

C15H13BrF2N2O — CID 107608755

IUPAC5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(F)c(Br)cc2F)cc1N
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-8(2)13(19)4-9(7)15(21)20-14-6-11(17)10(16)5-12(14)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyMXKHSVMSTVARCA-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.18
Rot. Bonds2

About 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide

5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide (PubChem CID 107608755) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
PubChem CID107608755
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(F)c(Br)cc2F)cc1N
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-8(2)13(19)4-9(7)15(21)20-14-6-11(17)10(16)5-12(14)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyMXKHSVMSTVARCA-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
CID 107608664
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide (CID 107608755) is 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(F)c(Br)cc2F)cc1N.
What is the InChIKey of 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide?
The InChIKey is MXKHSVMSTVARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-7-3-8(2)13(19)4-9(7)15(21)20-14-6-11(17)10(16)5-12(14)18/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide?
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide has a molecular weight of 355.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 107608755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).